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Chemistry, part 2

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Concept information

organooxygen compound > oxacycle > furopyran > n-[(1r,3r,4as,9ar)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > furopyran > n-[(1r,3r,4as,9ar)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > furopyran > n-[(1r,3r,4as,9ar)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > furopyran > n-[(1r,3r,4as,9ar)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > furopyran > n-[(1r,3r,4as,9ar)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > furopyran > n-[(1r,3r,4as,9ar)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > furopyran > n-[(1r,3r,4as,9ar)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

Preferred term

n-[(1r,3r,4as,9ar)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C29H26F2N2O7

inchi

  • InChI=1S/C29H26F2N2O7/c30-17-2-4-22(31)16(7-17)12-32-27(35)11-19-10-21-20-9-18(3-6-23(20)40-28(21)26(13-34)39-19)33-29(36)15-1-5-24-25(8-15)38-14-37-24/h1-9,19,21,26,28,34H,10-14H2,(H,32,35)(H,33,36)/t19-,21+,26-,28-/m1/s1

inchikey

  • JRAPIMFHFBSUKE-ZAESVHBDSA-N

mass

  • 552.524

monoisotopicmass

  • 552.17081

smiles

  • C1[C@@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=C(C=CC(=C6)F)F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:97312

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